Vitas-M small molecule compound
ethyl 4-cyano-3-methyl-5-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2-carboxylate
Catalog ID
STL171093
SMILES CCOC(=O)c1sc(c(c1C)C#N)N/C=C\1/C(=NN(C1=O)c1ccccc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-4-27-20(26)17-12(2)15(10-21)18(28-17)22-11-16-13(3)23-24(19(16)25)14-8-6-5-7-9-14/h5-9,11,22H,4H2,1-3H3/b16-11-InChIKey
FFACTAVEYJYXOH-WJDWOHSUSA-NSynonyms
1164543-86-51164543865
4CYANO3METHYL5((3METHYL5OXO1PHENYL15DIHYDROPYRAZOL4YLIDENEMETHYL)AMINO)THIOPHENE2CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C(=C(S1)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC=C1C(=NN(C1=O)c1ccccc1)C
ETHYL4CYANO3METHYL5(((3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)2THIOPHENECARBOXYLATE
ethyl4cyano3methyl5(((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene2carboxylate
ETHYL4CYANO3METHYL5(((Z)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)AMINO)THIOPHENE2CARBOXYLATE
InChI=1SC20H18N4O3Sc142720(26)1712(2)15(1021)18(2817)22111613(3)2324(19(16)25)148657914h591122H4H213H3b1611
MFCD01079951
ZINC000100535459
ZINC100535459
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